C31H26N2O5S
TL;DR: C31H26N2O5S (CAS 877782-36-0) is a chemical compound with molecular formula C31H26N2O5S and molecular weight 538.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione, 5-(4-(allyloxy)phenyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C31H26N2O5S |
|---|---|
| Molecular Weight | 538.16 g/mol |
| LogP | 6.11922 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.15625 |
| Heavy Atoms | 39 |
| Complexity | 1670.313 |
Chemical Identifiers
| CAS Number | 877782-36-0 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC=C(C=C6)OCC=C)/O |
Product Overview
C31H26N2O5S (CAS 877782-36-0), with molecular formula C31H26N2O5S and molecular weight 538.16 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of C31H26N2O5S
Property Insights of C31H26N2O5S
The XLogP value of 6.11922 indicates that C31H26N2O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H26N2O5S. Following Lipinski's Rule of Five, C31H26N2O5S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H26N2O5S?
The CAS number of C31H26N2O5S is 877782-36-0.
What is the molecular formula of C31H26N2O5S?
The molecular formula of C31H26N2O5S is C31H26N2O5S.
What is the molecular weight of C31H26N2O5S?
The molecular weight of C31H26N2O5S is 538.16 g/mol.
Where can I buy C31H26N2O5S?
You can request a quote for C31H26N2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H26N2O5S?
Yes, KEHONG BIO provides custom synthesis services for C31H26N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.